BDBM50631032 CHEMBL5401284

SMILES Oc1ccc(c(O)c1C(=O)c1cnc2cc(nn2c1)-c1ccc(cc1)C(=O)OCc1ccc(cc1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=VIQXHWIGOQADLR-UHFFFAOYSA-N

Data  6 IC50  6 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50631032   

TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 2.97E+3nMAssay Description:Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of FTO (32 to 505 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) by FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  6.62E+3nMAssay Description:Binding affinity to biotinylated ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) assessed as equilibrium dissocia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  1.12E+4nMAssay Description:Binding affinity to NT-647-NHS fluorescent dye-labeled wild-type ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  3.73E+5nMAssay Description:Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 R130A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  5.30E+4nMAssay Description:Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 K132A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  2.90E+5nMAssay Description:Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 Y139A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-ssDNA a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataKd:  1.58E+4nMAssay Description:Binding affinity to NT-647-NHS fluorescent dye-labeled ALKBH5 Y139A/R277A mutant (unknown origin) expressed in Escherichia coli BL21(DE3) using m6A-s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 4.46E+3nMAssay Description:Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 4.32E+3nMAssay Description:Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 4.64E+3nMAssay Description:Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50631032(CHEMBL5401284)
Affinity DataIC50: 4.89E+3nMAssay Description:Inhibition of ALKBH5 (66 to 292 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) using 5'-ATTGTCA(m6A)CAGCAGA-FAM-3' as substrate in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed